(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol; (2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoic acid

Systemtic Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol; (2S)-5-[bis(azanyl)methylideneamino]-2-(methylamino)pentanoic acid Openeye Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; (2S)-5-guanidino-2-(methylamino)pentanoic acid CAS Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol; (2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid IUPAC Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol; (2S)-5-(diaminomethylideneamino)-2-(methylamino)pentanoic acid Traditional Name: (1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol; (2S)-5-guanidino-2-(methylamino)valeric acid Formula: C34H60N4O5 MolecularWeight: 604.864

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C.CNC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C.CN[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C27H44O3.C7H16N4O2/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2;1-10-5(6(12)13)3-2-4-11-7(8)9/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3;5,10H,2-4H2,1H3,(H,12,13)(H4,8,9,11)/b20-10+,21-11-;/t18-,22-,23-,24+,25+,27-;5-/m10/s1